SCHEMBL11271837

SCHEMBL11271837

COC(=O)C(C)O[C@H]1[C@H](O)[C@@H](COS(C)(=O)=O)O[C@H](OCc2ccccc2)[C@@H]1NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ SSTR5 P35346 6/20 0.42
▸ SSTR3 P32745 5/20 0.42
▸ SSTR2 P30874 3/20 0.42
▸ SSTR1 P30872 1/20 0.42
▸ SSTR4 P31391 1/20 0.42
▸ MAG P20916 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ MMP9 P14780 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MCHR1 Q99705 6/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11265381 0.90 POLB (0.54) POLBMAGLMNAKMT2AL3MBTL1
SCHEMBL8331345 0.90 POLB (0.46) POLBSSTR5SSTR3SSTR2SSTR1
SCHEMBL11268177 0.88 MAPK1 (0.53) POLBMAGLMNAKMT2AL3MBTL1
SCHEMBL8332378 0.84 POLB (0.46) POLBSSTR5SSTR3SSTR2SSTR1
SCHEMBL8331347 0.81 POLB (0.49) POLBLMNAKMT2AL3MBTL1
SCHEMBL7155850 0.80 MAPK1 (0.64) POLBMAGL3MBTL1MAPK1
SCHEMBL7155841 0.80 MAPK1 (0.64) POLBMAGL3MBTL1MAPK1
SCHEMBL11282707 0.79 MAPK1 (0.51) POLBSSTR5SSTR3SSTR2SSTR1
SCHEMBL11274431 0.78 POLB (0.53) POLBMAGLMNAKMT2AL3MBTL1
SCHEMBL22053387 0.77 SSTR5 (0.52) POLBSSTR5SSTR3SSTR2SSTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0015468-B1 6-DEOXYGLUCOSAMINE-PEPTIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1982-12-29 — — EP disclosed
US-4314998-A 6-Deoxyglucosamine-peptide derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-09 — — US disclosed
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